3-iodanyl-2,4,4-trimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-iodanyl-2,4,4-trimethyl-cyclohex-2-en-1-one Openeye Name: 3-iodo-2,4,4-trimethyl-cyclohex-2-en-1-one CAS Name: 3-iodo-2,4,4-trimethyl-1-cyclohex-2-enone IUPAC Name: 3-iodo-2,4,4-trimethylcyclohex-2-en-1-one Traditional Name: 3-iodo-2,4,4-trimethyl-cyclohex-2-en-1-one Formula: C9H13IO MolecularWeight: 264.10339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1=O)(C)C)I

Isomeric SMILES

CC1=C(C(CCC1=O)(C)C)I

InChI

InChI=1S/C9H13IO/c1-6-7(11)4-5-9(2,3)8(6)10/h4-5H2,1-3H3